Geometry & MOs

Info

ID:	175209
PubChem CID:	75866834
Reduced:	NSF3O4C22H24 (1)
Stoich.:	ABC3D4E22F24 (1)
Weight, g/mol:	461.246061
ΔH_f, kcal/mol:	-289.76
Dipole, Da:	3.95
IP(EA), eV:	-9.72(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[(4-ethylphenoxy)methyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropylcarbamoyl)propanamide

Drug info:

PubChemData

Smile

CCCCN(C1CCS(=O)(=O)C1)C(=O)C2=CC(=CC=C2)OC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations